2-[(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]pyrimidin-4-amine

C12H16N6 — CID 166301578

IUPAC2-[(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]pyrimidin-4-amine
SMILESCc1[nH]nc2c1CN(Cc1nccc(N)n1)CC2
InChIInChI=1S/C12H16N6/c1-8-9-6-18(5-3-10(9)17-16-8)7-12-14-4-2-11(13)15-12/h2,4H,3,5-7H2,1H3,(H,16,17)(H2,13,14,15)
InChIKeyQNGHYLUCDWUAFF-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.65
Rot. Bonds2

About 2-[(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]pyrimidin-4-amine

2-[(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]pyrimidin-4-amine (PubChem CID 166301578) has the molecular formula C12H16N6 and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-[(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]pyrimidin-4-amine
PubChem CID166301578
Molecular FormulaC12H16N6
Molecular Weight244.30 g/mol
Exact Mass244.14
IUPAC Name2-[(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]pyrimidin-4-amine
SMILESCc1[nH]nc2c1CN(Cc1nccc(N)n1)CC2
InChIInChI=1S/C12H16N6/c1-8-9-6-18(5-3-10(9)17-16-8)7-12-14-4-2-11(13)15-12/h2,4H,3,5-7H2,1H3,(H,16,17)(H2,13,14,15)
InChIKeyQNGHYLUCDWUAFF-UHFFFAOYSA-N
XLogP0.65
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-[(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]pyrimidin-4-amine (CID 166301578) is 2-[(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-[(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-[(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]pyrimidin-4-amine is Cc1[nH]nc2c1CN(Cc1nccc(N)n1)CC2.
What is the InChIKey of 2-[(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]pyrimidin-4-amine?
The InChIKey is QNGHYLUCDWUAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6/c1-8-9-6-18(5-3-10(9)17-16-8)7-12-14-4-2-11(13)15-12/h2,4H,3,5-7H2,1H3,(H,16,17)(H2,13,14,15).
What are the key properties of 2-[(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]pyrimidin-4-amine?
2-[(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]pyrimidin-4-amine has a molecular weight of 244.30 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 166301578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).